N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-methylphenyl)acetamide

C13H15N3OS — CID 110718046

IUPACN-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCc1csc(N)n1
InChIInChI=1S/C13H15N3OS/c1-9-4-2-3-5-10(9)6-12(17)15-7-11-8-18-13(14)16-11/h2-5,8H,6-7H2,1H3,(H2,14,16)(H,15,17)
InChIKeyNRFSGRUQPQCHLF-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.89
Rot. Bonds4

About N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-methylphenyl)acetamide

N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-methylphenyl)acetamide (PubChem CID 110718046) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
PubChem CID110718046
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCc1csc(N)n1
InChIInChI=1S/C13H15N3OS/c1-9-4-2-3-5-10(9)6-12(17)15-7-11-8-18-13(14)16-11/h2-5,8H,6-7H2,1H3,(H2,14,16)(H,15,17)
InChIKeyNRFSGRUQPQCHLF-UHFFFAOYSA-N
XLogP1.89
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methylphenyl)ethyl]acetamide
CID 79749621
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-fluorophenyl)acetamide
CID 110718049
1-(2-amino-1,3-thiazol-4-yl)-3-(2-methylphenyl)propan-2-one
CID 116575731
2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide
CID 39733641
N-[(2-methylphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31251684
2-(2-amino-1,3-thiazol-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide
CID 114700232
N-[(2-amino-1,3-thiazol-4-yl)methyl]acetamide
CID 110717958
2-(2-amino-1,3-thiazol-4-yl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 62798043
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
CID 51258130
4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 61411885
4-[(2-ethylanilino)methyl]-1,3-thiazol-2-amine
CID 82475643
N-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62798939

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-methylphenyl)acetamide (CID 110718046) is N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)NCc1csc(N)n1.
What is the InChIKey of N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-methylphenyl)acetamide?
The InChIKey is NRFSGRUQPQCHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9-4-2-3-5-10(9)6-12(17)15-7-11-8-18-13(14)16-11/h2-5,8H,6-7H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-methylphenyl)acetamide?
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-methylphenyl)acetamide has a molecular weight of 261.35 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 110718046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).